On Wed, May 07, 2014, Xiaoquan Sun wrote:
>
> I know how to get the radial distribution function, and I know there's
> relationship between g(r ) factor and structure factor. But I can't deal
> with it by myself. Is there any simple method to calculate structor
> factor from my MD simulation?
You need to define the term "structure factor", which has many meanings,
depending on the context. I suspect that once you try to make your question
more specific, you may find the answers you want. For example, for scattering
of xrays or neutrons from liquids you might be thinking about something
like Eq. 6 here
http://en.wikipedia.org/wiki/Structure_factor
...good luck...dac
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Received on Wed May 07 2014 - 15:30:03 PDT
